SCHEMBL29985266

SCHEMBL29985266

CNCc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.40
LIPG Q9Y5X9 3/20 0.40
LTA4H P09960 1/20 0.39
CXCR2 P25025 2/20 0.38
SLC6A4 P31645 8/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A3 Q01959 4/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HTR2A P28223 2/20 0.34
IFNAR1 P17181 1/20 0.34
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21273391 1.00 LPL (0.40) LPLLIPGLTA4HCXCR2SLC6A4
SCHEMBL14630064 0.83 LPL (0.39) LPLLIPGCXCR2SLC6A4SLC6A2
SCHEMBL13202078 0.80 LPL (0.43) LPLLIPGCXCR2ANPEPLAP3
SCHEMBL3319492 0.80 CXCR2 (0.41) LPLLIPGCXCR2
SCHEMBL19817457 0.80 CXCR2 (0.41) LPLLIPGCXCR2ALDH1A1
SCHEMBL20504832 0.79 SLC6A2 (0.34) LPLLIPGLTA4HCXCR2SLC6A4
SCHEMBL2586990 0.79 LPL (0.42) LPLLIPGCXCR2ANPEPLAP3
SCHEMBL30737822 0.79 LPL (0.42) LPLLIPGCXCR2ANPEPLAP3
SCHEMBL30393353 0.79 LPL (0.42) LPLLIPGCXCR2ANPEPLAP3
SCHEMBL11963741 0.79 LPL (0.42) LPLLIPGCXCR2ANPEPLAP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697994-B Fused quinazoline derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-08-13 CN disclosed
EP-4346815-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-04-10 EP disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
WO-2022251497-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2022-12-01 WO disclosed
WO-2022197862-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-09-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 LPL 4880/4885LIPG 3777/4885LTA4H 4774/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.